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. 2026 Sep 9;16(43):53776–53805. doi: 10.1039/d6ra05786a

Table 7. Hyperparameters optimization search space for the GCNN model after phase 1 and optimized hyperparameters of phase 2 of the GCNN model development workflow.

Hyperparameters Search space (phase 2) Optimized hyperparameters – phase 2
Graph convolution layers [64, 64] or [64, 64, 64] [64, 64]
Dense layer size 64 or 128 128
Batch size 32 (fixed) 32
Dropout X ∼ U(0.04, 0.15), step = 0.001 0.123
Learning rate X ∼ U(0.001, 0.02), step = 0.001 0.006
Weight decay 10−5 or 10−3 10−3
Activation function ReLU (fixed) ReLU
Validation ROC-AUC score 0.896